N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine

C23H20ClN3O — CID 135862880

IUPACN-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine
SMILESClc1ccc(Nc2cccc3c2CO/C(=N\[C@@H]2CCc4ccccc42)N3)cc1
InChIInChI=1S/C23H20ClN3O/c24-16-9-11-17(12-10-16)25-20-6-3-7-21-19(20)14-28-23(26-21)27-22-13-8-15-4-1-2-5-18(15)22/h1-7,9-12,22,25H,8,13-14H2,(H,26,27)/t22-/m1/s1
InChIKeyMQYJOKDKDZTRPC-JOCHJYFZSA-N
MW389.89 g/mol
LogP6.07
Rot. Bonds3

About N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine

N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine (PubChem CID 135862880) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine
PubChem CID135862880
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC NameN-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine
SMILESClc1ccc(Nc2cccc3c2CO/C(=N\[C@@H]2CCc4ccccc42)N3)cc1
InChIInChI=1S/C23H20ClN3O/c24-16-9-11-17(12-10-16)25-20-6-3-7-21-19(20)14-28-23(26-21)27-22-13-8-15-4-1-2-5-18(15)22/h1-7,9-12,22,25H,8,13-14H2,(H,26,27)/t22-/m1/s1
InChIKeyMQYJOKDKDZTRPC-JOCHJYFZSA-N
XLogP6.07
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 135862878
CID 135862878
CID 135862879
CID 135862879
CID 136415090
CID 136415090
CID 136415091
CID 136415091
CID 136647914
CID 136647914
CID 136656151
CID 136656151
CID 173054023
CID 173054023
CID 135862875
CID 135862875
CID 135862913
CID 135862913
CID 135862915
CID 135862915
CID 135964162
CID 135964162
CID 136415107
CID 136415107

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine?
The IUPAC name of N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine (CID 135862880) is N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine is Clc1ccc(Nc2cccc3c2CO/C(=N\[C@@H]2CCc4ccccc42)N3)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine?
The InChIKey is MQYJOKDKDZTRPC-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H20ClN3O/c24-16-9-11-17(12-10-16)25-20-6-3-7-21-19(20)14-28-23(26-21)27-22-13-8-15-4-1-2-5-18(15)22/h1-7,9-12,22,25H,8,13-14H2,(H,26,27)/t22-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine?
N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine has a molecular weight of 389.89 g/mol, XLogP of 6.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]imino]-1,4-dihydro-3,1-benzoxazin-5-amine is sourced from PubChem (CID 135862880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).